| Compound Information | SONAR Target prediction | | Name: | 5alpha-CHOLESTAN-3beta-OL-6-ONE | | Unique Identifier: | SPE00270083 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 357.296 g/mol | | X log p: | 0.465 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | CC(C)CCCC(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12C | | Class: | sterol | | Source: | Mandevilla pentlandiana |
| Species: |
4932 |
| Condition: |
YPT6 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.2945±0.0142836 |
| Normalized OD Score: sc h |
0.7598±0.010239 |
| Z-Score: |
-6.7194±0.295333 |
| p-Value: |
0.0000000000395524 |
| Z-Factor: |
0.48277 |
| Fitness Defect: |
23.9534 |
| Bioactivity Statement: |
Toxic |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 5|E10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.10 Celcius | | Date: | 2006-02-22 YYYY-MM-DD | | Plate CH Control (+): | 0.040875±0.00082 | | Plate DMSO Control (-): | 0.312075±0.03162 | | Plate Z-Factor: | 0.6029 |
|  png
ps
pdf |
| 6566106 |
(3S,5R,8R,9S,10S,13S,14R,17S)-3-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,1
6,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
| 6595834 |
n/a |
| 6708589 |
1-[(3R,12S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta
[a]phenanthren-17-yl]ethanone |
| 6710665 |
(3S,5S,10R,13R)-3-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetr
adecahydrocyclopenta[a]phenanthren-6-one |
| 6918983 |
(1S,3S)-5-hydroxyadamantan-2-one |
| 6932888 |
(1R,3R)-5-hydroxyadamantan-2-one |
| internal high similarity DBLink | Rows returned: 3 | |
|
